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2-(oxetan-3-yl)acetic acid - 97%, high purity , CAS No.1310381-54-4

COA

Grade & Purity:

≥97%

Cas Number: 1310381-54-4
Molecular Weight: 116.1152
PubChem CID: 54758977

In stock

Item Number

O173284

Grouped product items
SKU	Size	Availability	Price	Qty
O173284-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$455.90

Basic Description

Synonyms	2-(OXETAN-3-YL)ACETIC ACID \| 1310381-54-4 \| 3-OXETANEACETIC ACID \| oxetan-3-ylacetic acid \| 2-(3-Oxetanyl)acetic Acid \| MFCD19442256 \| OXETAN-3-YL-ACETIC ACID \| 2-(Oxetan-3-yl)aceticacid \| (Oxetan-3-yl)acetic acid \| SCHEMBL1830399 \| DTXSID10716620 \| AMY19671 \| BBL103630 \| STL55744
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxetanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxetanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Oxetanes
Alternative Parents	Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Oxetane - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as oxetanes. These are compounds containing an oxetane ring, which is a four-member saturated aliphatic ring with an oxygen, and three carbon atoms.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-(oxetan-3-yl)acetic acid
INCHI	InChI=1S/C5H8O3/c6-5(7)1-4-2-8-3-4/h4H,1-3H2,(H,6,7)
InChIKey	FSJPCGQVHNWRGI-UHFFFAOYSA-N
Smiles	C1C(CO1)CC(=O)O
Isomeric SMILES	C1C(CO1)CC(=O)O
Molecular Weight	116.1152
Reaxy-Rn	27585003
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27585003&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	116.110 g/mol
XLogP3	-0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	116.047 Da
Monoisotopic Mass	116.047 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	95.800
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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